Ligand
Ligand Name:   2-Amino-6-(3-formylphenyl)-4-(1-pyrrolidinyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Ligand Type:   non-polymer
Ligand ID:   COVPDB1155 PubChem:   118708947
Synonym(s):  
  •   2-amino-6-(3-formylphenyl)-4-(pyrrolidin-1-yl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
  • chembl3318494
  • q27463966
show 2 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL3318494
Canonical SMILES:   C1CCCN1c(nc(n2)N)c(c23)c(C#N)c([nH]3)-c4cc(C=O)ccc4
Standard InChI:   InChI=1S/C18H16N6O/c19-9-13-14-16(21-15(13)12-5-3-4-11(8-12)10-25)22-18(20)23-17(14)24-6-1-2-7-24/h3-5,8,10H,1-2,6-7H2,(H3,20,21,22,23)
Molecular Formula:   C18H16N6O Mol. Weight:   332.13855 logP:   2.49148
HBD:   2 HBA:   6
#Rotatable Bonds:   3 TPSA:   111.69

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Pteridine reductase O76290 (O76290_TRYBB) Trypanosoma brucei brucei 4CM5 NWJ
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